Crystal Lab › Prototype structures › Tetragonal
Ir₃Ga₅
Tetragonal · space group P-4n2 (No. 118) · Pearson tP32
Symmetry elements and Wyckoff positions (interactive)
Ir₃Ga₅ in P-4n2
SettingUnit cell
- Lattice constants
- a = 5.823 Å, b = 5.823 Å, c = 14.120 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 478.8 ų
- Atoms in the conventional cell
- 32 (Ir 12, Ga 20)
- Formula units Z
- 4
- Pearson symbol
- tP32 — tetragonal, primitive lattice, 32 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ir4 | Ir | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Ir5 | Ir | 2c | 2 | 0.0000 | 0.5000 | 0.2500 |
| Ir6 | Ir | 4e | 4 | 0.0000 | 0.0000 | 0.3291 |
| Ga1 | Ga | 4f | 4 | 0.6750 | 0.8250 | 0.2500 |
| Ir7 | Ir | 4h | 4 | 0.0000 | 0.5000 | 0.9139 |
| Ga2 | Ga | 8i | 8 | 0.2300 | 0.3500 | 0.0515 |
| Ga3 | Ga | 8i | 8 | 0.3400 | 0.3000 | 0.6500 |
The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 32 atoms drawn above are these sites multiplied by all 8 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.
How to read the label
A5B3_tP32_118_f2i_aceh-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP32, then the space-group number 118, then the Wyckoff letters occupied by each element in turn (Ir: 2a; Ir: 2c; Ir: 4e; Ga: 4f; Ir: 4h; Ga: 8i; Ga: 8i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5B3_tP32_118_f2i_aceh-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.